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Home Nitro Compounds 40832-81-3
40832-81-3,MFCD02112810
Catalog No.:AA00BZ5Q

40832-81-3 | 3-Nitro-4-(pyrrolidin-1-yl)benzoic acid

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1g
95%
in stock  
$81.00   $57.00
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00BZ5Q
Chemical Name:
3-Nitro-4-(pyrrolidin-1-yl)benzoic acid
CAS Number:
40832-81-3
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
MDL Number:
MFCD02112810
SMILES:
[O-][N+](=O)c1cc(ccc1N1CCCC1)C(=O)O
Properties
Properties
 
BP:
442.8°C at 760 mmHg  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
309  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.9  

Literature

Title: 3-Nitro-4-amino benzoic acids and 6-amino nicotinic acids are highly selective agonists of GPR109b.

Journal: Bioorganic & medicinal chemistry letters 20071201

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SDS
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Tags:40832-81-3 Molecular Formula|40832-81-3 MDL|40832-81-3 SMILES|40832-81-3 3-Nitro-4-(pyrrolidin-1-yl)benzoic acid